2-sulfanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-sulfanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-thioxo-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 2-sulfanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-sulfanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-thioxo-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C6H5F3N2O2S MolecularWeight: 226.17631

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(NC(=S)N1)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=C(C(NC(=S)N1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C6H5F3N2O2S/c7-6(8,9)3-2(4(12)13)1-10-5(14)11-3/h1,3H,(H,12,13)(H2,10,11,14)